N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide

C17H28N2O4 — CID 139335055

IUPACN-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide
SMILESCC(C)CC(C(=O)C(=O)NCC1CC1)N(C=O)CC1CCOC1
InChIInChI=1S/C17H28N2O4/c1-12(2)7-15(16(21)17(22)18-8-13-3-4-13)19(11-20)9-14-5-6-23-10-14/h11-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyZZMUSQGEUVYGKN-UHFFFAOYSA-N
MW324.42 g/mol
LogP0.99
Rot. Bonds10

About N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide

N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide (PubChem CID 139335055) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide
PubChem CID139335055
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide
SMILESCC(C)CC(C(=O)C(=O)NCC1CC1)N(C=O)CC1CCOC1
InChIInChI=1S/C17H28N2O4/c1-12(2)7-15(16(21)17(22)18-8-13-3-4-13)19(11-20)9-14-5-6-23-10-14/h11-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyZZMUSQGEUVYGKN-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide (CID 139335055) is N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide is CC(C)CC(C(=O)C(=O)NCC1CC1)N(C=O)CC1CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide?
The InChIKey is ZZMUSQGEUVYGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(2)7-15(16(21)17(22)18-8-13-3-4-13)19(11-20)9-14-5-6-23-10-14/h11-15H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide?
N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide has a molecular weight of 324.42 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide is sourced from PubChem (CID 139335055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).