N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide

C18H29N3O4 — CID 94060411

IUPACN-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](O)COCC(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-12(2)10-25-11-17(23)9-19-18(24)20-13(3)15-6-5-7-16(8-15)21-14(4)22/h5-8,12-13,17,23H,9-11H2,1-4H3,(H,21,22)(H2,19,20,24)/t13-,17-/m1/s1
InChIKeyYYVPSSIOLVCQDJ-CXAGYDPISA-N
MW351.45 g/mol
LogP2.04
Rot. Bonds9

About N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide (PubChem CID 94060411) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
PubChem CID94060411
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](O)COCC(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-12(2)10-25-11-17(23)9-19-18(24)20-13(3)15-6-5-7-16(8-15)21-14(4)22/h5-8,12-13,17,23H,9-11H2,1-4H3,(H,21,22)(H2,19,20,24)/t13-,17-/m1/s1
InChIKeyYYVPSSIOLVCQDJ-CXAGYDPISA-N
XLogP2.04
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
CID 82710844
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110909987
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
CID 71897814
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide (CID 94060411) is N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](O)COCC(C)C)c1.
What is the InChIKey of N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is YYVPSSIOLVCQDJ-CXAGYDPISA-N. The full InChI is InChI=1S/C18H29N3O4/c1-12(2)10-25-11-17(23)9-19-18(24)20-13(3)15-6-5-7-16(8-15)21-14(4)22/h5-8,12-13,17,23H,9-11H2,1-4H3,(H,21,22)(H2,19,20,24)/t13-,17-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 94060411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).