3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide

C19H21N3O2 — CID 82034593

IUPAC3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-13-16(21-19(24)11-12-20)8-9-17(14)22-18(23)10-7-15-5-3-2-4-6-15/h2-10,13H,11-12,20H2,1H3,(H,21,24)(H,22,23)/b10-7+
InChIKeyWWMYKNGMFIMMRQ-JXMROGBWSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds6

About 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide

3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide (PubChem CID 82034593) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
PubChem CID82034593
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-13-16(21-19(24)11-12-20)8-9-17(14)22-18(23)10-7-15-5-3-2-4-6-15/h2-10,13H,11-12,20H2,1H3,(H,21,24)(H,22,23)/b10-7+
InChIKeyWWMYKNGMFIMMRQ-JXMROGBWSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
CID 82034725
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
3-amino-N-[2-chloro-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034414
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9416088
(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 39185656
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-[(4-chloro-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 44726118
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide (CID 82034593) is 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide is Cc1cc(NC(=O)CCN)ccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide?
The InChIKey is WWMYKNGMFIMMRQ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-13-16(21-19(24)11-12-20)8-9-17(14)22-18(23)10-7-15-5-3-2-4-6-15/h2-10,13H,11-12,20H2,1H3,(H,21,24)(H,22,23)/b10-7+.
What are the key properties of 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide?
3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide is sourced from PubChem (CID 82034593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).