(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide

C19H32N4O — CID 119901452

IUPAC(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O/c1-15(2)12-18(20)19(24)21-13-16-4-6-17(7-5-16)14-23-10-8-22(3)9-11-23/h4-7,15,18H,8-14,20H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyMTFONFCXJMJDMR-SFHVURJKSA-N
MW332.49 g/mol
LogP1.42
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide

(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide (PubChem CID 119901452) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
PubChem CID119901452
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O/c1-15(2)12-18(20)19(24)21-13-16-4-6-17(7-5-16)14-23-10-8-22(3)9-11-23/h4-7,15,18H,8-14,20H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyMTFONFCXJMJDMR-SFHVURJKSA-N
XLogP1.42
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 119901426
(2S)-2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylpentanamide
CID 119867379
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
(2S)-2-amino-4-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 119838497
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide (CID 119901452) is (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide?
The InChIKey is MTFONFCXJMJDMR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15(2)12-18(20)19(24)21-13-16-4-6-17(7-5-16)14-23-10-8-22(3)9-11-23/h4-7,15,18H,8-14,20H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide has a molecular weight of 332.49 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 119901452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).