7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide

C19H30N4O2 — CID 119735214

IUPAC7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(21-18(24)6-4-2-3-5-13-20)15-7-9-16(10-8-15)22-19(25)23-17-11-12-17/h7-10,14,17H,2-6,11-13,20H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyHSDRQHNYQNVCGY-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.06
Rot. Bonds10

About 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide

7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide (PubChem CID 119735214) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
PubChem CID119735214
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(21-18(24)6-4-2-3-5-13-20)15-7-9-16(10-8-15)22-19(25)23-17-11-12-17/h7-10,14,17H,2-6,11-13,20H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyHSDRQHNYQNVCGY-UHFFFAOYSA-N
XLogP3.06
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.06
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

3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 75518103
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide (CID 119735214) is 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide is CC(NC(=O)CCCCCCN)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide?
The InChIKey is HSDRQHNYQNVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(21-18(24)6-4-2-3-5-13-20)15-7-9-16(10-8-15)22-19(25)23-17-11-12-17/h7-10,14,17H,2-6,11-13,20H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide?
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide has a molecular weight of 346.48 g/mol, XLogP of 3.06, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide is sourced from PubChem (CID 119735214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).