4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide

C11H17N3O2 — CID 71135441

IUPAC4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESNCC(=O)NCCC1C=CC(C(N)=O)=CC1
InChIInChI=1S/C11H17N3O2/c12-7-10(15)14-6-5-8-1-3-9(4-2-8)11(13)16/h1,3-4,8H,2,5-7,12H2,(H2,13,16)(H,14,15)
InChIKeyKMLQKBBGRGTHDO-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.56
Rot. Bonds5

About 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide

4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 71135441) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID71135441
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESNCC(=O)NCCC1C=CC(C(N)=O)=CC1
InChIInChI=1S/C11H17N3O2/c12-7-10(15)14-6-5-8-1-3-9(4-2-8)11(13)16/h1,3-4,8H,2,5-7,12H2,(H2,13,16)(H,14,15)
InChIKeyKMLQKBBGRGTHDO-UHFFFAOYSA-N
XLogP-0.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ornilactam A
CID 139589682
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CID 56808777
N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 21257353
3-(2-aminopropanoylamino)-N-propylcyclohexa-1,5-diene-1-carboxamide
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(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide
CID 58709447
N-(3-amino-3-oxopropyl)-4-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 59611651
4-Cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one
CID 67765124
N-(2-aminoethyl)-4-methylcyclohexa-1,5-diene-1-carboxamide
CID 68304529
(2S)-N-[(9aS)-3,3-dimethyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-3-ium-5-yl]-2-aminopropanamide
CID 69754120
(2S)-N-[(9aS)-3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl]-2-aminopropanamide
CID 69754381
4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide (CID 71135441) is 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide is NCC(=O)NCCC1C=CC(C(N)=O)=CC1.
What is the InChIKey of 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is KMLQKBBGRGTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-7-10(15)14-6-5-8-1-3-9(4-2-8)11(13)16/h1,3-4,8H,2,5-7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide?
4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71135441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).