3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide

C14H21N3O2 — CID 112701585

IUPAC3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-13(18)8-9-15-14(19)10-16-12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySVBWQWOFSPVCKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds7

About 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide

3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 112701585) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID112701585
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-13(18)8-9-15-14(19)10-16-12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySVBWQWOFSPVCKX-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204
3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
CID 119819005
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
CID 115923717
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide (CID 112701585) is 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(=O)CNc1ccccc1.
What is the InChIKey of 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is SVBWQWOFSPVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)17-13(18)8-9-15-14(19)10-16-12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide?
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112701585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).