N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide

C27H29ClN2O3 — CID 42861582

IUPACN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C27H29ClN2O3/c1-19(2)16-30(26(31)23-12-7-9-20-8-3-4-10-22(20)23)18-21-17-29(14-15-33-21)27(32)24-11-5-6-13-25(24)28/h3-13,19,21H,14-18H2,1-2H3
InChIKeyVBJBOIFSZMIOSR-UHFFFAOYSA-N
MW464.99 g/mol
LogP5.13
Rot. Bonds6

About N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide

N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (PubChem CID 42861582) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
PubChem CID42861582
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC NameN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C27H29ClN2O3/c1-19(2)16-30(26(31)23-12-7-9-20-8-3-4-10-22(20)23)18-21-17-29(14-15-33-21)27(32)24-11-5-6-13-25(24)28/h3-13,19,21H,14-18H2,1-2H3
InChIKeyVBJBOIFSZMIOSR-UHFFFAOYSA-N
XLogP5.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 93337592
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
N-(3-chlorophenyl)-2-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46059953
2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide (CID 42861582) is N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is CC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
The InChIKey is VBJBOIFSZMIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-19(2)16-30(26(31)23-12-7-9-20-8-3-4-10-22(20)23)18-21-17-29(14-15-33-21)27(32)24-11-5-6-13-25(24)28/h3-13,19,21H,14-18H2,1-2H3.
What are the key properties of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide?
N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide has a molecular weight of 464.99 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42861582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).