N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C21H33N3O3 — CID 124725635

IUPACN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C21H33N3O3/c25-18(22-17-10-9-15-6-1-2-7-16(15)14-17)8-5-13-24-19(26)21(23-20(24)27)11-3-4-12-21/h15-17H,1-14H2,(H,22,25)(H,23,27)/t15-,16+,17-/m1/s1
InChIKeyBIRNMNMGRLNYCU-IXDOHACOSA-N
MW375.51 g/mol
LogP3.11
Rot. Bonds5

About N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 124725635) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID124725635
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C21H33N3O3/c25-18(22-17-10-9-15-6-1-2-7-16(15)14-17)8-5-13-24-19(26)21(23-20(24)27)11-3-4-12-21/h15-17H,1-14H2,(H,22,25)(H,23,27)/t15-,16+,17-/m1/s1
InChIKeyBIRNMNMGRLNYCU-IXDOHACOSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671735
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120601198
ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
CID 75427428
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 124725635) is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1.
What is the InChIKey of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is BIRNMNMGRLNYCU-IXDOHACOSA-N. The full InChI is InChI=1S/C21H33N3O3/c25-18(22-17-10-9-15-6-1-2-7-16(15)14-17)8-5-13-24-19(26)21(23-20(24)27)11-3-4-12-21/h15-17H,1-14H2,(H,22,25)(H,23,27)/t15-,16+,17-/m1/s1.
What are the key properties of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 375.51 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 124725635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).