(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide

C27H28N4O2 — CID 26401749

IUPAC(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C27H28N4O2/c1-33-25(21-14-6-3-7-15-21)27(32)29-19-24-30-23-17-9-8-16-22(23)26(31-24)28-18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17,25H,10,13,18-19H2,1H3,(H,29,32)(H,28,30,31)/t25-/m0/s1
InChIKeySJTDSUZUYBKJPO-VWLOTQADSA-N
MW440.55 g/mol
LogP4.68
Rot. Bonds10

About (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide

(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide (PubChem CID 26401749) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide
PubChem CID26401749
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C27H28N4O2/c1-33-25(21-14-6-3-7-15-21)27(32)29-19-24-30-23-17-9-8-16-22(23)26(31-24)28-18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17,25H,10,13,18-19H2,1H3,(H,29,32)(H,28,30,31)/t25-/m0/s1
InChIKeySJTDSUZUYBKJPO-VWLOTQADSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzamide
CID 42343690
N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 42274485
2-chloro-6-fluoro-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzamide
CID 26347031
(4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide
CID 42499579
2,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide
CID 42467413
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
2-methoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 60589002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide (CID 26401749) is (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide is CO[C@H](C(=O)NCc1nc(NCCCc2ccccc2)c2ccccc2n1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide?
The InChIKey is SJTDSUZUYBKJPO-VWLOTQADSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-25(21-14-6-3-7-15-21)27(32)29-19-24-30-23-17-9-8-16-22(23)26(31-24)28-18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17,25H,10,13,18-19H2,1H3,(H,29,32)(H,28,30,31)/t25-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide?
(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide is sourced from PubChem (CID 26401749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).