2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide

C19H38N2O2 — CID 134332061

IUPAC2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
SMILESCCCCCC(NC(=O)C(CCCCC)NC(C)(C)C)C(C)=O
InChIInChI=1S/C19H38N2O2/c1-7-9-11-13-16(15(3)22)20-18(23)17(14-12-10-8-2)21-19(4,5)6/h16-17,21H,7-14H2,1-6H3,(H,20,23)
InChIKeyGMMUNRRRGIRBBT-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.98
Rot. Bonds12

About 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide

2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide (PubChem CID 134332061) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
PubChem CID134332061
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
SMILESCCCCCC(NC(=O)C(CCCCC)NC(C)(C)C)C(C)=O
InChIInChI=1S/C19H38N2O2/c1-7-9-11-13-16(15(3)22)20-18(23)17(14-12-10-8-2)21-19(4,5)6/h16-17,21H,7-14H2,1-6H3,(H,20,23)
InChIKeyGMMUNRRRGIRBBT-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.98
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

6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
CID 166138006
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-oxopentanoic acid
CID 155043357
3-(tert-butylamino)pentan-2-one
CID 123205051
7-amino-3-(tert-butylamino)heptan-2-one
CID 89488673
3-(methylamino)nonan-2-one
CID 21024660
2-oxoheptan-3-ylcarbamic acid
CID 87957715
(3R)-3-methyloctan-2-one
CID 158725350
3-pentylnonan-2-one
CID 21290467
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-1-oxoheptan-2-yl]heptanamide
CID 59033718
2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
CID 91405705
2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide (CID 134332061) is 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide is CCCCCC(NC(=O)C(CCCCC)NC(C)(C)C)C(C)=O.
What is the InChIKey of 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide?
The InChIKey is GMMUNRRRGIRBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-9-11-13-16(15(3)22)20-18(23)17(14-12-10-8-2)21-19(4,5)6/h16-17,21H,7-14H2,1-6H3,(H,20,23).
What are the key properties of 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide?
2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide has a molecular weight of 326.53 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide is sourced from PubChem (CID 134332061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).