2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide

C17H35N3O2 — CID 58871564

IUPAC2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
SMILESCCCCCC(N)C(=O)NC(CCCCC)C(=O)NC(C)C
InChIInChI=1S/C17H35N3O2/c1-5-7-9-11-14(18)16(21)20-15(12-10-8-6-2)17(22)19-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRARYYHSWBYQTPI-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.48
Rot. Bonds12

About 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide

2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide (PubChem CID 58871564) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide.

Molecular Properties

Compound Name2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
PubChem CID58871564
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
SMILESCCCCCC(N)C(=O)NC(CCCCC)C(=O)NC(C)C
InChIInChI=1S/C17H35N3O2/c1-5-7-9-11-14(18)16(21)20-15(12-10-8-6-2)17(22)19-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRARYYHSWBYQTPI-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[(2-methyl-3-oxononan-4-yl)amino]-1-oxoheptan-2-yl]heptanamide
CID 159407083
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-1-oxoheptan-2-yl]heptanamide
CID 59033718
2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
(2S)-6-amino-2-[[4-amino-2-(2-aminohexanoylamino)butanoyl]amino]hexanoic acid
CID 24983240
2-methyl-N-propan-2-ylhexanamide
CID 19752015
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide
CID 139469246
(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 175745494
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 175827737
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2S)-2-[[(2S)-2-aminoheptanoyl]amino]-3-hydroxybutanoic acid
CID 118409733

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide?
The IUPAC name of 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide (CID 58871564) is 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide.
What is the SMILES notation for 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide?
The canonical SMILES for 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide is CCCCCC(N)C(=O)NC(CCCCC)C(=O)NC(C)C.
What is the InChIKey of 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide?
The InChIKey is RARYYHSWBYQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-5-7-9-11-14(18)16(21)20-15(12-10-8-6-2)17(22)19-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide?
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide has a molecular weight of 313.49 g/mol, XLogP of 2.48, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide is sourced from PubChem (CID 58871564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).