N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide

C19H30N4O4 — CID 72892000

IUPACN-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O4/c1-14(25)20-16-4-5-18(27-3)17(12-16)21-19(26)22(2)13-15-6-8-23(9-7-15)10-11-24/h4-5,12,15,24H,6-11,13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyCZXQWZQECWCDLR-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.82
Rot. Bonds7

About N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide

N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide (PubChem CID 72892000) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
PubChem CID72892000
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O4/c1-14(25)20-16-4-5-18(27-3)17(12-16)21-19(26)22(2)13-15-6-8-23(9-7-15)10-11-24/h4-5,12,15,24H,6-11,13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyCZXQWZQECWCDLR-UHFFFAOYSA-N
XLogP1.82
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
3-(3-chloro-4-methoxyphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914983
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
CID 90290240
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72928653
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-acetamido-2-methoxyphenyl)propanamide
CID 2641877
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide (CID 72892000) is N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)N(C)CC1CCN(CCO)CC1.
What is the InChIKey of N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide?
The InChIKey is CZXQWZQECWCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-14(25)20-16-4-5-18(27-3)17(12-16)21-19(26)22(2)13-15-6-8-23(9-7-15)10-11-24/h4-5,12,15,24H,6-11,13H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide?
N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 72892000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).