N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide

C16H25N3O — CID 107444617

IUPACN-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)NCCNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-16(2,3)18-10-9-17-13-5-4-6-14(11-13)19-15(20)12-7-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20)
InChIKeyRJXIITSBMHXTCI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.84
Rot. Bonds6

About N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide

N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide (PubChem CID 107444617) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
PubChem CID107444617
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)NCCNc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H25N3O/c1-16(2,3)18-10-9-17-13-5-4-6-14(11-13)19-15(20)12-7-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20)
InChIKeyRJXIITSBMHXTCI-UHFFFAOYSA-N
XLogP2.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.84
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-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
tert-butyl N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917170
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide (CID 107444617) is N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide is CC(C)(C)NCCNc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is RJXIITSBMHXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)18-10-9-17-13-5-4-6-14(11-13)19-15(20)12-7-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide?
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 107444617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).