N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide

C18H35N3O2 — CID 163742124

IUPACN-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
SMILESC=C(C)C(CCCCN)NC(=O)CNC(=O)C(C)CCCCC
InChIInChI=1S/C18H35N3O2/c1-5-6-7-10-15(4)18(23)20-13-17(22)21-16(14(2)3)11-8-9-12-19/h15-16H,2,5-13,19H2,1,3-4H3,(H,20,23)(H,21,22)
InChIKeyLIQWPVLBCCMVFB-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.51
Rot. Bonds13

About N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide

N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide (PubChem CID 163742124) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide.

Molecular Properties

Compound NameN-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
PubChem CID163742124
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
SMILESC=C(C)C(CCCCN)NC(=O)CNC(=O)C(C)CCCCC
InChIInChI=1S/C18H35N3O2/c1-5-6-7-10-15(4)18(23)20-13-17(22)21-16(14(2)3)11-8-9-12-19/h15-16H,2,5-13,19H2,1,3-4H3,(H,20,23)(H,21,22)
InChIKeyLIQWPVLBCCMVFB-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
CID 91405705
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
5-amino-N-[2-(ethylamino)-2-oxoethyl]-2-methylpentanamide
CID 104683686
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
(2S)-6-amino-N-(2-amino-2-oxoethyl)-2-[[2-(butanoylamino)acetyl]amino]hexanamide
CID 177028623
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
CID 142574713
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoic acid
CID 88862190
2-[[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]amino]-4-methylpentanoic acid
CID 18235591
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide?
The IUPAC name of N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide (CID 163742124) is N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide.
What is the SMILES notation for N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide?
The canonical SMILES for N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide is C=C(C)C(CCCCN)NC(=O)CNC(=O)C(C)CCCCC.
What is the InChIKey of N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide?
The InChIKey is LIQWPVLBCCMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-5-6-7-10-15(4)18(23)20-13-17(22)21-16(14(2)3)11-8-9-12-19/h15-16H,2,5-13,19H2,1,3-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide?
N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide has a molecular weight of 325.50 g/mol, XLogP of 2.51, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide is sourced from PubChem (CID 163742124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).