N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide

C20H29N3O2 — CID 75390041

IUPACN-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNC(=O)NCC1C2CCc3ccccc3C21
InChIInChI=1S/C20H29N3O2/c1-13(2)19(24)21-10-5-11-22-20(25)23-12-17-16-9-8-14-6-3-4-7-15(14)18(16)17/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyLURUJHPGTWDWPV-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.42
Rot. Bonds7

About N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide

N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide (PubChem CID 75390041) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide
PubChem CID75390041
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNC(=O)NCC1C2CCc3ccccc3C21
InChIInChI=1S/C20H29N3O2/c1-13(2)19(24)21-10-5-11-22-20(25)23-12-17-16-9-8-14-6-3-4-7-15(14)18(16)17/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyLURUJHPGTWDWPV-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-4-methylpentyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106157071
N-(6-iodohexyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 107848547
N-[[(1R,1aR,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]methyl]-5-cyano-1H-pyrrole-2-carboxamide
CID 99696102
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
N-(1-chloro-3-methylbutan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114305529
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 102553470
5-[[[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 124572413
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2,4-dimethylpentan-1-one
CID 114285008
N-(5-bromopentan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114316551
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
N-[3-(2-chloroethoxy)propyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106306965

Frequently Asked Questions

What is the IUPAC name of N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide (CID 75390041) is N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide is CC(C)C(=O)NCCCNC(=O)NCC1C2CCc3ccccc3C21.
What is the InChIKey of N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide?
The InChIKey is LURUJHPGTWDWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)19(24)21-10-5-11-22-20(25)23-12-17-16-9-8-14-6-3-4-7-15(14)18(16)17/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide?
N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide has a molecular weight of 343.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethylcarbamoylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 75390041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).