6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide

C11H24N4O2 — CID 83109295

IUPAC6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(4-3-5-9(2)12)10(16)14-6-7-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyJELUVENICDYPKD-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.08
Rot. Bonds8

About 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide

6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide (PubChem CID 83109295) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
PubChem CID83109295
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(4-3-5-9(2)12)10(16)14-6-7-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17)
InChIKeyJELUVENICDYPKD-UHFFFAOYSA-N
XLogP-0.08
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
CID 114115988
6-amino-2-methyl-N-(4-methylpentan-2-yl)heptanamide
CID 65292557
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide (CID 83109295) is 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)NCCNC(N)=O.
What is the InChIKey of 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide?
The InChIKey is JELUVENICDYPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(4-3-5-9(2)12)10(16)14-6-7-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17).
What are the key properties of 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide?
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide has a molecular weight of 244.34 g/mol, XLogP of -0.08, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide is sourced from PubChem (CID 83109295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).