N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C15H29N3O2 — CID 140775965

IUPACN-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCNC(=O)CN)C1
InChIInChI=1S/C15H29N3O2/c1-10(2)12-5-4-11(3)8-13(12)15(20)18-7-6-17-14(19)9-16/h10-13H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVMNRWLBQAXKCJJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.89
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 140775965) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID140775965
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCNC(=O)CN)C1
InChIInChI=1S/C15H29N3O2/c1-10(2)12-5-4-11(3)8-13(12)15(20)18-7-6-17-14(19)9-16/h10-13H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVMNRWLBQAXKCJJ-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.89
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

N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775988
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
(1R,2R,5S)-N-[2-(N-(2-aminoacetyl)anilino)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 24996015
(1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89213688
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126647509
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 140775965) is N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCCNC(=O)CN)C1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VMNRWLBQAXKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)12-5-4-11(3)8-13(12)15(20)18-7-6-17-14(19)9-16/h10-13H,4-9,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 140775965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).