7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide

C14H29N3O2 — CID 54869086

IUPAC7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O2/c1-4-17(11-13(18)16-12(2)3)14(19)9-7-5-6-8-10-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyUIPOZGJAADIEHE-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.27
Rot. Bonds10

About 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide

7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide (PubChem CID 54869086) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
PubChem CID54869086
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O2/c1-4-17(11-13(18)16-12(2)3)14(19)9-7-5-6-8-10-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyUIPOZGJAADIEHE-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
CID 54878536
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815
5-(dithiolan-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 134057623
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide?
The IUPAC name of 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide (CID 54869086) is 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide is CCN(CC(=O)NC(C)C)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide?
The InChIKey is UIPOZGJAADIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-17(11-13(18)16-12(2)3)14(19)9-7-5-6-8-10-15/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide?
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide has a molecular weight of 271.40 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide is sourced from PubChem (CID 54869086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).